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The program seeks to find mechanisms and their rates for all fragmentation types (EI, Tandem positive and negative mode) and correlates mass spectral peaks to a probable origin structure. It contains an isotope calculator and other features and on-line help. This program is a companion to the NIST Spectra Search Program, v.3.0.
Mass spectrometry is a scientific technique for measuring the mass-to-charge ratio of ions. It is often coupled to chromatographic techniques such as gas-or liquid chromatography and has found widespread adoption in the fields of analytical chemistry and biochemistry where it can be used to identify and characterize small molecules and proteins ().
A mass spectrum is a histogram plot of intensity vs. mass-to-charge ratio (m/z) in a chemical sample, [1] usually acquired using an instrument called a mass spectrometer. Not all mass spectra of a given substance are the same; for example, some mass spectrometers break the analyte molecules into fragments; others observe the intact molecular ...
SIRIUS is a Java-based open-source software for the identification of small molecules from fragmentation mass spectrometry data without the use of spectral libraries. It combines the analysis of isotope patterns in MS1 spectra with the analysis of fragmentation patterns in MS2 spectra.
If a spectrum of an unknown chemical compound is available, a reverse search can be carried out by entering the values of the chemical shift, frequency or mass of the peaks in the NMR, FT-IR or EI-MS spectrum respectively. This type of search affords all the chemical compounds in the database that have the entered spectral characteristics. [6]
Fixed some issues remarked in german wikipedia, e.g. ion beams are already separated in front of magnet, separation depends on mass to charge ratio not on mass. resized image: 04:23, 28 October 2008: 338 × 330 (37 KB) Devon Fyson: Workaround for unrendered curved text; Bold larger labels; Capitalization fix: 04:14, 28 October 2008: 338 × 330 ...
A requirement diagram is a diagram specially used in SysML in which requirements and the relations between them and their relationship to other model elements are shown as discussed in the following paragraphs. Demonstration of requirements diagram for a basic lessons learned system.
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